6-bromo-3-fluoro-4-(trifluoromethyl)-1H-quinolin-2-one

C10H4BrF4NO — CID 22279105

IUPAC6-bromo-3-fluoro-4-(trifluoromethyl)-1H-quinolin-2-one
SMILESO=c1[nH]c2ccc(Br)cc2c(C(F)(F)F)c1F
InChIInChI=1S/C10H4BrF4NO/c11-4-1-2-6-5(3-4)7(10(13,14)15)8(12)9(17)16-6/h1-3H,(H,16,17)
InChIKeyZUWWGHVDTPYTEV-UHFFFAOYSA-N
MW310.04 g/mol
LogP3.45
Rot. Bonds

About 6-bromo-3-fluoro-4-(trifluoromethyl)-1H-quinolin-2-one

6-bromo-3-fluoro-4-(trifluoromethyl)-1H-quinolin-2-one (PubChem CID 22279105) has the molecular formula C10H4BrF4NO and a molecular weight of 310.04 g/mol. Its IUPAC name is 6-bromo-3-fluoro-4-(trifluoromethyl)-1H-quinolin-2-one.

Molecular Properties

Compound Name6-bromo-3-fluoro-4-(trifluoromethyl)-1H-quinolin-2-one
PubChem CID22279105
Molecular FormulaC10H4BrF4NO
Molecular Weight310.04 g/mol
Exact Mass308.94
IUPAC Name6-bromo-3-fluoro-4-(trifluoromethyl)-1H-quinolin-2-one
SMILESO=c1[nH]c2ccc(Br)cc2c(C(F)(F)F)c1F
InChIInChI=1S/C10H4BrF4NO/c11-4-1-2-6-5(3-4)7(10(13,14)15)8(12)9(17)16-6/h1-3H,(H,16,17)
InChIKeyZUWWGHVDTPYTEV-UHFFFAOYSA-N
XLogP3.45
TPSA32.86 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.04
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 6-bromo-3-fluoro-4-(trifluoromethyl)-1H-quinolin-2-one?
The IUPAC name of 6-bromo-3-fluoro-4-(trifluoromethyl)-1H-quinolin-2-one (CID 22279105) is 6-bromo-3-fluoro-4-(trifluoromethyl)-1H-quinolin-2-one.
What is the SMILES notation for 6-bromo-3-fluoro-4-(trifluoromethyl)-1H-quinolin-2-one?
The canonical SMILES for 6-bromo-3-fluoro-4-(trifluoromethyl)-1H-quinolin-2-one is O=c1[nH]c2ccc(Br)cc2c(C(F)(F)F)c1F.
What is the InChIKey of 6-bromo-3-fluoro-4-(trifluoromethyl)-1H-quinolin-2-one?
The InChIKey is ZUWWGHVDTPYTEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H4BrF4NO/c11-4-1-2-6-5(3-4)7(10(13,14)15)8(12)9(17)16-6/h1-3H,(H,16,17).
What are the key properties of 6-bromo-3-fluoro-4-(trifluoromethyl)-1H-quinolin-2-one?
6-bromo-3-fluoro-4-(trifluoromethyl)-1H-quinolin-2-one has a molecular weight of 310.04 g/mol, XLogP of 3.45, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-3-fluoro-4-(trifluoromethyl)-1H-quinolin-2-one is sourced from PubChem (CID 22279105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).